ThermoML - an XML-Based Approach to Standardize Storage and Exchange of experimental and Critically Evaluated Thermophysical and Thermochemical Property Data. 1. Experimental Data

Published

February 1, 2003

Author(s)

Michael D. Frenkel, Robert D. Chirico, Vladimir Diky, Qian Dong, Svetlana Frenkel, Paul R. Franchois, K N. Marsh, R C. Wilhoit, D L. Embry, T L. Teague

Abstract

sic principles, scope, and description of all structural elements of ThermoML are discussed. ThermoML is an XML-based approach to standardize storace and exchange of experimental and critically evaluated thermophysical and thermochemical property data. ThermoML covers essentially all experimentally determined thermodynamic and transport property data (more than 120 properties) for pure compounds, multicomponent mixtures, and chemical reactions (including change-of-state and equilibrium). The primary focus at present is molecular compounds. Although the focus of ThermoML is properties determined by direct experimental measurement, ThennoML does cover key derived property data such as azeotropic properties, Henry's Law constants, virial coefficients (for pure compounds and mixtures), activities and activity coefficients, fugacities and fu-acity coefficients, and standard properties derived from high-precision adiabatic heat-capacity calorimetry. The role of ThermoML in (Global data submission and dissemination is discussed with particular emphasis on the new cooperation in data processing between the Journal of Chemical and Engineering Data and the Thermodynamics Research Center (TRC) at the National Institute of Standards and Technology. The text of several data files illustrating the TheimoML format for pure compounds, mixtures, and chemical reactions, as well as the complete ThermoML schema text, are provided as Supporting Information.

Citation

Journal of Chemical and Engineering Data

Volume

48

Pub Type

Journals

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Keywords

data storage, dataexchange, property data, standardsizaation, thermochemical, ThermoML, thermophysical, XML

Citation

Frenkel, M. , Chirico, R. , Diky, V. , Dong, Q. , Frenkel, S. , Franchois, P. , Marsh, K. , Wilhoit, R. , Embry, D. and Teague, T. (2003), ThermoML - an XML-Based Approach to Standardize Storage and Exchange of experimental and Critically Evaluated Thermophysical and Thermochemical Property Data. 1. Experimental Data, Journal of Chemical and Engineering Data, [online], https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=831858 (Accessed April 25, 2024)